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Peter J. Rossky
Researcher at Rice University
Publications - 285
Citations - 22396
Peter J. Rossky is an academic researcher from Rice University. The author has contributed to research in topics: Solvation & Excited state. The author has an hindex of 74, co-authored 280 publications receiving 21183 citations. Previous affiliations of Peter J. Rossky include Fu Jen Catholic University & University of Texas at Austin.
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Relating Chromophoric and Structural Disorder in Conjugated Polymers
Lena Simine,Peter J. Rossky +1 more
TL;DR: In this paper, the authors investigate the relationship between the ground state optical gaps, the properties of the excited states, and the structural features of chromophores of a single molecule poly(3-hexyl)-thiophene (P3HT), using quantum-classical atomistic simulations.
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The role of specific solvent modes in the non-radiative relaxation of an excess electron in methanol
TL;DR: In this paper, the first solvation shell dominates the electronic coupling, most strongly through rotational and vibrational motions involving the hydrogen atom of the methanol molecule, and the longest time dynamics can be identified with the excited state lifetime, rather than solvation dynamics of the neoformed ground state.
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Quantum simulation of ultrafast spectroscopy
TL;DR: In this article, the authors focus on the decomposition of the equilibrium optical spectrum into the underlying electronic excitations and on simulation of a proposed photophysical hole-burning experiment designed to test the veracity of this decomposition.
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Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networks.
TL;DR: A machine-learning model relating coarse-grained conjugated polymer conformations and absorption spectroscopy and demonstrating that it can bridge between these is developed, based on a generative deep learning model: the long-short-term memory recurrent neural network (LSTM-RNN).
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Potential of mean force for a sodium dimethyl phosphate ion pair in aqueous solution: a further test of the extended RISM theory
Shu Wen W. Chen,Peter J. Rossky +1 more
TL;DR: In this article, the authors applied the extended reference interaction site model (RISM) theory with the hypernetted chain closure to evaluate the solvent structure and potential of mean force (PMF) for the sodium dimethyl phosphate (NaDMP) ion pair in simple point charge (SPC) water.